Allotetrahydrocortisol
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
| + | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1302&show=SHOW-3D Show 3-D Structure] | ||
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RN given refers to (3alpha,5alpha,11beta)-isomer | RN given refers to (3alpha,5alpha,11beta)-isomer | ||
==General Properties== | ==General Properties== | ||
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*[http://www.hmdb.ca/metabolites/HMDB00526]Human Metabolome DataBase | *[http://www.hmdb.ca/metabolites/HMDB00526]Human Metabolome DataBase | ||
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Current revision
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Contents |
[edit] Description
RN given refers to (3alpha,5alpha,11beta)-isomer
[edit] General Properties
*Molecular Weight
366.49
*Molecular Formula
C21H34O5
*IUPAC NAME
2-hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
*Canonical Smiles
CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O
*Isomeric Smiles
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
[edit] PhysioChemical Properties
*Melting Point
1.92(EST)
*LogP
*Water Solubility
